6-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C23H22N6OS — CID 55543196

About 6-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

6-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 55543196) has the molecular formula C23H22N6OS and a molecular weight of 430.54 g/mol. Its IUPAC name is 6-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
• PubChem CID: 55543196
• Molecular Formula: C23H22N6OS
• Molecular Weight: 430.54 g/mol
• Exact Mass: 430.16
• IUPAC Name: 6-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(C(=O)NCCn2c(C)nc3ccccc32)c2cnn(Cc3cccs3)c2n1
• InChI: InChI=1S/C23H22N6OS/c1-15-12-18(19-13-25-29(22(19)26-15)14-17-6-5-11-31-17)23(30)24-9-10-28-16(2)27-20-7-3-4-8-21(20)28/h3-8,11-13H,9-10,14H2,1-2H3,(H,24,30)
• InChIKey: NSNJPETWVONVLJ-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.54
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 55543196) is 6-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCCn2c(C)nc3ccccc32)c2cnn(Cc3cccs3)c2n1.

What is the InChIKey of 6-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

The InChIKey is NSNJPETWVONVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6OS/c1-15-12-18(19-13-25-29(22(19)26-15)14-17-6-5-11-31-17)23(30)24-9-10-28-16(2)27-20-7-3-4-8-21(20)28/h3-8,11-13H,9-10,14H2,1-2H3,(H,24,30).

What are the key properties of 6-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

6-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 430.54 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55543196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).